SCHEMBL784259

SCHEMBL784259

CN(C)c1nccc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)CCC3CCCC3)CC4)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
WDR5 P61964 4/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 2/20 0.34
ALDH1A1 P00352 1/20 0.34
DRD2 P14416 2/20 0.33
ACACB O00763 2/20 0.33
GBA1 P04062 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACHE P22303 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
MCHR1 Q99705 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL785126 0.92 POLB (0.37) POLBWDR5MEN1NPC1TP53
SCHEMBL784264 0.91 POLB (0.36) POLBWDR5MEN1NPC1TP53
SCHEMBL784801 0.91 POLB (0.36) POLBWDR5MEN1NPC1TP53
SCHEMBL785221 0.90 ALDH1A1 (0.43) POLBWDR5TP53TSHRKMT2A
SCHEMBL784401 0.90 POLB (0.37) POLBWDR5MEN1NPC1TP53
SCHEMBL27920413 0.89 POLB (0.37) POLBWDR5MEN1NPC1TP53
SCHEMBL27920407 0.89 CA12 (0.40) POLBWDR5NPC1RAB9AHTR1A
SCHEMBL785318 0.87 POLB (0.40) POLBWDR5TSHRALDH1A1DRD2
SCHEMBL785043 0.86 POLB (0.40) POLBDRD2ACACBMCHR1
SCHEMBL784808 0.86 F10 (0.41) POLBWDR5MEN1NPC1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 POLB 3355/4885WDR5 2611/4885MEN1 2563/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.